Acetoxyacetic acid is kinetically stable degradation product of oxidative degradation of 1,3-dialkylimidazolium ionic liquids in hydrogen peroxide/aceticacid aqueous medium assisted by ultrasonic chemical irradiation. It is an intermediate formed during reactions of manganic acetate in glacial acetic acid with benzene (100°C), chlorobenzene, or toluene.
| Canonical Smiles | CC(=O)OCC(=O)O |
|---|---|
| IUPAC Name | 2-acetyloxyacetic acid |
| InChIKey | MLXDUYUQINCFFV-UHFFFAOYSA-N |
| INCHI | 1S/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7) |
| Isomeric SMILES | CC(=O)OCC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 118.09 |
| Reaxy-Rn | 1702957 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702957&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2520019 | Certificate of Analysis | Oct 29, 2025 | A167143 |
| A2303038 | Certificate of Analysis | Oct 22, 2024 | A167143 |
| A2303053 | Certificate of Analysis | Oct 22, 2024 | A167143 |
| A2303213 | Certificate of Analysis | Oct 22, 2024 | A167143 |
| A2303217 | Certificate of Analysis | Oct 22, 2024 | A167143 |
| J2026174 | Certificate of Analysis | Sep 13, 2022 | A167143 |
| F2207306 | Certificate of Analysis | Jun 11, 2022 | A167143 |
| Boil Point(°C) | 141-142 °C/12 mmHg |
|---|---|
| Melt Point(°C) | 67-69°C |
| Molecular Weight | 118.090 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 118.027 Da |
| Monoisotopic Mass | 118.027 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 107.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
